5-methyl-2,4-diphenylquinazoline

C21H16N2 — CID 126746855

IUPAC5-methyl-2,4-diphenylquinazoline
SMILESCc1cccc2nc(-c3ccccc3)nc(-c3ccccc3)c12
InChIInChI=1S/C21H16N2/c1-15-9-8-14-18-19(15)20(16-10-4-2-5-11-16)23-21(22-18)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyFQOHUYKPTPTNON-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.27
Rot. Bonds2

About 5-methyl-2,4-diphenylquinazoline

5-methyl-2,4-diphenylquinazoline (PubChem CID 126746855) has the molecular formula C21H16N2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methyl-2,4-diphenylquinazoline.

Molecular Properties

Compound Name5-methyl-2,4-diphenylquinazoline
PubChem CID126746855
Molecular FormulaC21H16N2
Molecular Weight296.37 g/mol
Exact Mass296.13
IUPAC Name5-methyl-2,4-diphenylquinazoline
SMILESCc1cccc2nc(-c3ccccc3)nc(-c3ccccc3)c12
InChIInChI=1S/C21H16N2/c1-15-9-8-14-18-19(15)20(16-10-4-2-5-11-16)23-21(22-18)17-12-6-3-7-13-17/h2-14H,1H3
InChIKeyFQOHUYKPTPTNON-UHFFFAOYSA-N
XLogP5.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,4-diphenylquinazoline?
The IUPAC name of 5-methyl-2,4-diphenylquinazoline (CID 126746855) is 5-methyl-2,4-diphenylquinazoline.
What is the SMILES notation for 5-methyl-2,4-diphenylquinazoline?
The canonical SMILES for 5-methyl-2,4-diphenylquinazoline is Cc1cccc2nc(-c3ccccc3)nc(-c3ccccc3)c12.
What is the InChIKey of 5-methyl-2,4-diphenylquinazoline?
The InChIKey is FQOHUYKPTPTNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2/c1-15-9-8-14-18-19(15)20(16-10-4-2-5-11-16)23-21(22-18)17-12-6-3-7-13-17/h2-14H,1H3.
What are the key properties of 5-methyl-2,4-diphenylquinazoline?
5-methyl-2,4-diphenylquinazoline has a molecular weight of 296.37 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,4-diphenylquinazoline is sourced from PubChem (CID 126746855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).